4-(9H-carbazol-1-yl)-1,3-benzoxazole

C19H12N2O — CID 91806024

IUPAC4-(9H-carbazol-1-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cccc4ocnc34)cccc12
InChIInChI=1S/C19H12N2O/c1-2-9-16-12(5-1)13-6-3-7-14(18(13)21-16)15-8-4-10-17-19(15)20-11-22-17/h1-11,21H
InChIKeyMAYJYXAAGRTUQX-UHFFFAOYSA-N
MW284.32 g/mol
LogP5.13
Rot. Bonds1

About 4-(9H-carbazol-1-yl)-1,3-benzoxazole

4-(9H-carbazol-1-yl)-1,3-benzoxazole (PubChem CID 91806024) has the molecular formula C19H12N2O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(9H-carbazol-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-(9H-carbazol-1-yl)-1,3-benzoxazole
PubChem CID91806024
Molecular FormulaC19H12N2O
Molecular Weight284.32 g/mol
Exact Mass284.09
IUPAC Name4-(9H-carbazol-1-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)[nH]c1c(-c3cccc4ocnc34)cccc12
InChIInChI=1S/C19H12N2O/c1-2-9-16-12(5-1)13-6-3-7-14(18(13)21-16)15-8-4-10-17-19(15)20-11-22-17/h1-11,21H
InChIKeyMAYJYXAAGRTUQX-UHFFFAOYSA-N
XLogP5.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.32
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
4-(9H-carbazol-1-yl)-1,3-benzothiazole
CID 90707677
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
2-(9H-carbazol-1-yl)-N,N-bis[2-(9H-carbazol-1-yl)phenyl]aniline
CID 68812374
1-fluoranthen-3-yl-9H-carbazole
CID 142752993
2-[2-(9H-carbazol-1-yl)-6-pyridin-2-ylphenyl]phenol
CID 141226515
1-pyrimidin-4-yl-9H-carbazole
CID 142468899
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
CID 154262736
1-(2-triphenylen-1-yl-3-pyridinyl)-9H-carbazole
CID 175594588
1-(4-pyridin-4-yl-2-pyridinyl)-9H-carbazole
CID 141396420
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
CID 166134655
[2-(9H-carbazol-1-yl)phenyl]boronic acid
CID 66887079

Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-1-yl)-1,3-benzoxazole?
The IUPAC name of 4-(9H-carbazol-1-yl)-1,3-benzoxazole (CID 91806024) is 4-(9H-carbazol-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-(9H-carbazol-1-yl)-1,3-benzoxazole?
The canonical SMILES for 4-(9H-carbazol-1-yl)-1,3-benzoxazole is c1ccc2c(c1)[nH]c1c(-c3cccc4ocnc34)cccc12.
What is the InChIKey of 4-(9H-carbazol-1-yl)-1,3-benzoxazole?
The InChIKey is MAYJYXAAGRTUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O/c1-2-9-16-12(5-1)13-6-3-7-14(18(13)21-16)15-8-4-10-17-19(15)20-11-22-17/h1-11,21H.
What are the key properties of 4-(9H-carbazol-1-yl)-1,3-benzoxazole?
4-(9H-carbazol-1-yl)-1,3-benzoxazole has a molecular weight of 284.32 g/mol, XLogP of 5.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 91806024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).